1-(3-bromo-4,5-dimethoxyphenyl)-1-ethanol | 5293-21-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(3-bromo-4,5-dimethoxyphenyl)-1-ethanol
• 英文别名: 1-(3-bromo-4,5-dimethoxyphenyl)ethanol；1-(3-Brom-4,5-dimethoxy-phenyl)-aethan-1-ol
• CAS: 5293-21-0
• 化学式: C₁₀H₁₃BrO₃
• 分子量: 261.115
• InChiKey: FREXLWYPNZGVTA-UHFFFAOYSA-N

物化性质

• 沸点：
  329.8±42.0 °C(Predicted)
• 密度：
  1.413±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(3-bromo-4,5-dimethoxyphenyl)-1-ethanol 在 jones reagent 、 三溴化硼 、 sodium hydride 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 4.33h， 生成 ethyl 3-(3-bromo-4,5-dihydroxyphenyl)-3-oxopropionate
  参考文献：
  名称：

  Synthesis and structure-activity relationships of cephalosporins with C-3' catechol-containing residues

  摘要：

  Cephalosporins with new catechol substituents at C-3' have been synthesized, including novel compounds with C-3' carbon-carbon bonds. Many of these compounds have high potency against Gram-negative bacteria, in particular against resistant strains like Pseudomonas aeruginosa. Structure-activity relationships are discussed in terms of their dependence on the pK(a) of the C-3' catechol and also in terms of steric and conformational factors of the C-3' substituent. The best overall properties were found in compounds with a bulky and/or conformationally restricted acidic C-3' catechol.

  DOI：

  10.1021/jm00092a014
• 作为产物：
  描述：

  3-溴-4,5-二甲氧基苯甲醛 、 甲基溴化镁 在 水 、 氯化铵 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 以94%的产率得到1-(3-bromo-4,5-dimethoxyphenyl)-1-ethanol
  参考文献：
  名称：

  [EN] NOVEL MODULATORS OF PROTEIN KINASE SIGNALING
  [FR] NOUVEAUX MODULATEURS DE LA SIGNALISATION DE PROTÉINES KINASES

  摘要：

  本发明提供了新的酪氨酸激酶抑制剂衍生物，可作为蛋白激酶（PK）和受体激酶（RK）信号调节剂。该发明还提供了它们的制备方法，包括这些化合物的药物组合物，以及使用这些化合物和组合物的方法，特别是作为化疗药物，用于预防和治疗PK和RK相关疾病，如代谢性、炎症性、纤维化和细胞增殖性疾病，特别是癌症。

  公开号：

  WO2009147682A1

文献信息

• NOVEL MODULATORS OF PROTEIN KINASE SIGNALING
  申请人：Reuveni Hadas

  公开号：US20110105618A1

  公开（公告）日：2011-05-05

  The present invention provides new tyrphostin derivatives acting as protein kinase (PK) and receptor kinase (RK) signaling modulators. The invention further provides methods of their preparation, pharmaceutical compositions including such compounds, and methods of using these compounds and compositions, especially as chemotherapeutic agents for preventions and treatments of PK and RK related disorders such as metabolic, inflammatory, fibrotic, and cell proliferative disorders, in particular cancer.

  本发明提供了新的酪氨酸激酶（PK）和受体激酶（RK）信号调节剂的酪氨酸激酶抑制剂衍生物。本发明还提供了其制备方法，包括这些化合物的制药组合物，以及使用这些化合物和组合物的方法，特别是作为化疗药物，用于预防和治疗PK和RK相关疾病，如代谢性、炎症性、纤维化和细胞增生性疾病，特别是癌症。
• Modulators of protein kinase signaling
  申请人：Reuveni Hadas

  公开号：US08536227B2

  公开（公告）日：2013-09-17

  The present invention provides new tyrphostin derivatives acting as protein kinase (PK) and receptor kinase (RK) signaling modulators. The invention further provides methods of their preparation, pharmaceutical compositions including such compounds, and methods of using these compounds and compositions, especially as chemotherapeutic agents for preventions and treatments of PK and RK related disorders such as metabolic, inflammatory, fibrotic, and cell proliferative disorders, in particular cancer.

  本发明提供了新的酪氨酸激酶（PK）和受体激酶（RK）信号调节剂的酪氨酸激酶抑制剂衍生物。本发明还提供了其制备方法，包括这些化合物的药物组合物的制备方法以及使用这些化合物和组合物的方法，特别是作为化疗药物，用于预防和治疗PK和RK相关疾病，如代谢性、炎症性、纤维化和细胞增殖性疾病，特别是癌症。
• US8536227B2
  申请人：——

  公开号：US8536227B2

  公开（公告）日：2013-09-17
• US8637575B2
  申请人：——

  公开号：US8637575B2

  公开（公告）日：2014-01-28
• Synthesis and structure-activity relationships of cephalosporins with C-3' catechol-containing residues
  作者：J. C. Arnould、A. Bertrandie、T. G. C. Bird、D. Boucherot、F. Jung、J. J. Lohmann、A. Olivier、J. P. Bailey、W. Bell、G. M. Davies

  DOI：10.1021/jm00092a014

  日期：1992.7

  Cephalosporins with new catechol substituents at C-3' have been synthesized, including novel compounds with C-3' carbon-carbon bonds. Many of these compounds have high potency against Gram-negative bacteria, in particular against resistant strains like Pseudomonas aeruginosa. Structure-activity relationships are discussed in terms of their dependence on the pK(a) of the C-3' catechol and also in terms of steric and conformational factors of the C-3' substituent. The best overall properties were found in compounds with a bulky and/or conformationally restricted acidic C-3' catechol.